TPCN02194

Name Phlogacanthoside A
Molecular Formula C26H38O9
Molecular Weight 494.58
CAS Registry Number 830347-18-7
SMILES CC1=C2C(CC3=C(CCC4C(C)(COC5OC(CO)C(O)C(O)C5O)CCCC34C)C2O)OC1=O
Classify Diterpenoids
Content
Family Species Part Content (%) Reference DOI
Acanthaceae Phlogacanthus curviflorus Roots 0.008462% J Nat Prod 68, 86-89 (2005). 10.1021/np0497999
Properties
HBA 9 HBD 5
HeavyAtoms 35 AlogP 0.71
TPSA 145.91 RotatableBonds 4
FractionCSP3 0.81 Rings 5
AromaticRings 0 AliphaticRings 5